def read_convergence_data(self, data_dir):
results = {}
if 'G0W0' in data_dir or 'GW0' in data_dir or 'scGW0' in data_dir:
run = os.path.join(data_dir, 'vasprun.xml')
kpoints = os.path.join(data_dir, 'IBZKPT')
if os.path.isfile(run):
try:
data = Vasprun(run, ionic_step_skip=1)
parameters = data.__getattribute__('incar').to_dict
bandstructure = data.get_band_structure(kpoints)
results = {'ecuteps': parameters['ENCUTGW'],
'nbands': parameters['NBANDS'],
'nomega': parameters['NOMEGA'],
'gwgap': bandstructure.get_band_gap()['energy']}
except (IOError, OSError, IndexError, KeyError):
pass
return results
